Methyl 3-cyano-4-fluorobenzoate

Basic Information

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CAS Number

676602-31-6

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

267.5°C at 760 mmHg

SMILES

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COC(=O)C1=CC(=C(C=C1)F)C#N

InChI

InChI=1S/C9H6FNO2/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4H,1H3

InChIKey

UCOJKDQJOVWXRE-UHFFFAOYSA-N

LogP

1.48398

Complexity

245

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

UCOJKDQJOVWXRE-UHFFFAOYSA-N
SCHEMBL366584
FT-0649401
methyl 3-cyano-4-fluoro-benzoate
3-cyano-4-fluoro-benzoic acid methyl ester
MFCD06203915
FS-2843
Benzoic acid, 3-cyano-4-fluoro-, methyl ester
3-Cyano-4-fluorobenzoic acid methyl ester
6,7-DIHYDROXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROBROMIDE
Methyl 3-cyano-4-fluorobenzoate
AKOS006295235
AC-23722
DTXSID80672229
676602-31-6
AM20080897
CL8551
J-522168
CS-W019451
A9060
SY022961
methyl3-cyano-4-fluorobenzoate
PubChem12203
KSC495K5F
SBB089517
FC1125
LS10149
CM12619
TRA0151889
RP24041
2-Fluoro-5-(methoxycarbonyl)benzonitrile

MDL Number

MFCD06203915

Customs Code

2926909090

FAQ

What is Methyl 3-cyano-4-fluorobenzoate (CAS: 676602-31-6)?

Methyl 3-cyano-4-fluorobenzoate is an organofluorine compound with the molecular formula C8H6FNCO. It is a colorless or light yellow liquid with a characteristic odor. This compound is used in various applications, including pharmaceuticals and research due to its chemical properties.

What are the main uses of Methyl 3-cyano-4-fluorobenzoate (CAS: 676602-31-6)?

Methyl 3-cyano-4-fluorobenzoate is primarily used in the pharmaceutical industry for the synthesis of organic compounds and as an intermediate in research. It is also used in the chemical industry for the production of other fluorinated chemicals.

Is Methyl 3-cyano-4-fluorobenzoate (CAS: 676602-31-6) safe?

Methyl 3-cyano-4-fluorobenzoate is generally safe when handled with proper precautions. However, it is important to avoid skin contact and inhalation of vapors. Protective measures include wearing gloves and goggles. Always follow local safety regulations and guidelines.

How should Methyl 3-cyano-4-fluorobenzoate (CAS: 676602-31-6) be stored?

Methyl 3-cyano-4-fluorobenzoate should be stored in a tightly closed container at room temperature, away from direct sunlight and heat sources. It should be kept in a well-ventilated area and handled with care to avoid spillage or leakage. Avoid storing in humid environments to prevent degradation.